1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[(2,3,5,6-tetramethylphenyl)thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2,3,5,6-tetramethylphenyl)thio]ethanone Formula: C21H27NOS MolecularWeight: 341.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)C2=C(N(C(=C2)C)C3CC3)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)C2=C(N(C(=C2)C)C3CC3)C)C)C

InChI

InChI=1S/C21H27NOS/c1-12-9-13(2)16(5)21(15(12)4)24-11-20(23)19-10-14(3)22(17(19)6)18-7-8-18/h9-10,18H,7-8,11H2,1-6H3